CID 2818730

Ccg-51917

Structural Information

Molecular Formula
C16H17N3O2S
SMILES
CSC1=CC=CC(=C1)NC(=O)C(=O)NCCC2=CC=CC=N2
InChI
InChI=1S/C16H17N3O2S/c1-22-14-7-4-6-13(11-14)19-16(21)15(20)18-10-8-12-5-2-3-9-17-12/h2-7,9,11H,8,10H2,1H3,(H,18,20)(H,19,21)
InChIKey
ADWPSNVUZLAIMA-UHFFFAOYSA-N
Compound name
N'-(3-methylsulfanylphenyl)-N-(2-pyridin-2-ylethyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

315.10416 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.111436 172.5
[M+Na]+ 338.093378 177.6
[M-H]- 314.096884 177.4
[M+NH4]+ 333.137983 185.2
[M+K]+ 354.067318 172.8
[M+H-H2O]+ 298.101420 163.4
[M+HCOO]- 360.102361 190.5
[M+CH3COO]- 374.118011 207.5
[M+Na-2H]- 336.078826 175.0
[M]+ 315.10361142 173.8
[M]- 315.10470858 173.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.